2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C16H17F2N3O2 — CID 177193358

IUPAC2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC1CC(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)CC(F)(F)C1
InChIInChI=1S/C16H17F2N3O2/c1-8-4-9(7-16(17,18)6-8)11-5-12(22)13-10(21-11)2-3-20-14(13)15(19)23/h2-3,5,8-9H,4,6-7H2,1H3,(H2,19,23)(H,21,22)
InChIKeyLTPBXJQTDIJCRN-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.56
Rot. Bonds2

About 2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 177193358) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID177193358
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC1CC(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)CC(F)(F)C1
InChIInChI=1S/C16H17F2N3O2/c1-8-4-9(7-16(17,18)6-8)11-5-12(22)13-10(21-11)2-3-20-14(13)15(19)23/h2-3,5,8-9H,4,6-7H2,1H3,(H2,19,23)(H,21,22)
InChIKeyLTPBXJQTDIJCRN-UHFFFAOYSA-N
XLogP2.56
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 177193358) is 2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is CC1CC(c2cc(=O)c3c(C(N)=O)nccc3[nH]2)CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is LTPBXJQTDIJCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-8-4-9(7-16(17,18)6-8)11-5-12(22)13-10(21-11)2-3-20-14(13)15(19)23/h2-3,5,8-9H,4,6-7H2,1H3,(H2,19,23)(H,21,22).
What are the key properties of 2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-5-methylcyclohexyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 177193358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).